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BDBM50257435 (S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pentan-2-aminium 2,2,2-trifluoroacetate::CHEMBL492733

SMILES: [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=UHGFPMQZPZHCRI-QWRGUYRKSA-O

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50257435   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257435
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-23-22-12-9-24(6-7-26(12)15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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PC cid
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50257435
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-23-22-12-9-24(6-7-26(12)15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50257435
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-23-22-12-9-24(6-7-26(12)15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair